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K8RbAg4

Alexandria ALEX

Alex-ID: agm097529211 · Space group: Pm (#6)

Basic Information

Formula
K8RbAg4
Alex-ID
agm097529211
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
616.70
ų
Cell a
5.0604
Å
Cell b
13.7792
Å
Cell c
11.8896
Å
α angle
48.06
°
β angle
89.97
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
K8RbAg4
K
8.00 · 61.5%
Rb
1.00 · 7.7%
Ag
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0681
eV/atom
Formation energy
0.0639
eV/atom
Corrected total energy
-20.3595
eV
Raw total energy
-20.3595
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.4173
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_951_spg8

Decomposition

K Rb K2Ag3

Computed at

2025-06-16 07:16:31

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097529211).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm097529211
data_agm097529211
_cell_length_a     5.06037
_cell_length_b     13.77919
_cell_length_c     11.88955
_cell_angle_alpha  48.06332
_cell_angle_beta   89.96982
_cell_angle_gamma  89.98768
_cell_volume       616.70423
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  K1 K 0.30794 0.13763 0.27268 1.00000
  K2 K 0.30818 0.67413 0.22280 1.00000
  K3 K 0.30795 0.69374 0.60520 1.00000
  K4 K 0.30712 0.98735 0.68800 1.00000
  K5 K 0.80843 0.92205 0.21950 1.00000
  K6 K 0.80780 0.34013 0.36914 1.00000
  K7 K 0.80803 0.39972 0.92064 1.00000
  K8 K 0.80762 0.69332 0.91762 1.00000
  Rb1 Rb 0.30793 0.25216 0.75513 1.00000
  Ag1 Ag 0.80627 0.95050 0.91364 1.00000
  Ag2 Ag 0.30758 0.47242 0.07574 1.00000
  Ag3 Ag 0.80781 0.55660 0.51398 1.00000
  Ag4 Ag 0.80733 0.92025 0.52593 1.00000
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